HMDB0055846 RDKit 3D TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 193192 0 0 0 0 0 0 0 0999 V2000 1.5266 -2.4708 7.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -3.9147 7.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 -4.5218 6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -5.5695 6.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 -6.2960 5.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5224 -7.6947 6.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -8.7112 5.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -8.7960 4.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -7.7148 3.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -7.4843 2.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -8.3672 1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 -8.9997 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 -8.8818 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 -8.1084 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -9.0498 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 -8.9352 -1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 -7.8188 -2.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -7.0480 -2.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 -5.8716 -3.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1785 -5.2384 -3.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -4.0580 -4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4836 -2.9435 -4.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5643 -1.8259 -5.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5678 -3.0004 -3.3942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 -1.8278 -3.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.9311 -1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 -2.1146 -0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -2.0136 0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8427 -2.1274 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1016 -2.3284 1.3649 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 -2.0484 3.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 -2.1800 3.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 -1.1599 2.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 -1.2633 3.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 -0.4328 2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4645 -0.6318 3.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 0.2885 4.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 1.7556 3.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 2.5130 5.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 3.5711 4.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 4.2142 3.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 4.3342 3.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2706 4.0265 2.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9535 3.4835 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 2.2246 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 1.9627 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 2.9243 -1.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 3.2560 -1.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 2.9903 -2.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4007 2.3191 -3.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 3.2533 -5.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8512 -2.8332 -2.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -2.2777 -2.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.0365 -2.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 -3.0579 -3.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8673 -2.3524 -3.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -1.8542 -1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 -0.8499 -1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 0.5534 -1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 1.3112 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 2.7326 -2.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 3.7125 -2.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 5.0568 -2.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 5.1360 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 6.5502 -3.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 6.7116 -4.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 8.0630 -4.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 8.1395 -5.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 8.2381 -5.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 8.2850 -4.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 7.0819 -4.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 6.9178 -3.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 6.7251 -2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 6.5528 -1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 6.3423 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4554 6.1540 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3168 4.9556 0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 -2.4495 6.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 -2.0904 7.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6696 -1.8183 7.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -3.7623 8.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -4.3872 7.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -4.0239 6.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -5.9224 5.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 -5.8185 6.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 -6.0980 5.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -7.8626 7.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 -9.7153 6.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 -9.3605 4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -9.6515 3.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 -7.0469 3.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 -6.6622 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4232 -9.0449 2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 -7.6224 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -9.6055 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 -9.3681 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -7.6532 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -7.2883 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -9.9057 -0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5589 -9.6780 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -7.1024 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 -8.3016 -3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 -6.6824 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7165 -7.7407 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 -5.1987 -3.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -6.3319 -4.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8967 -6.0619 -4.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3971 -4.9475 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4052 -3.7322 -4.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -4.3321 -5.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -1.4521 -4.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5682 -1.0263 -2.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -0.8477 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1732 -3.1306 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 -1.3873 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -2.8836 3.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0394 -1.1208 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0891 -1.9870 4.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7562 -3.2199 3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6368 -0.1441 3.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -1.3328 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 -0.7588 4.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -2.3159 3.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9128 0.5990 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -0.8209 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 -1.6902 3.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -0.0140 4.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 2.0898 3.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 2.0293 2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 2.1410 6.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 4.0199 6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 3.9918 2.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 5.3540 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 4.7240 4.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 4.1655 2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 3.2261 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 4.2369 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 1.4389 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 1.0088 -0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 2.4041 -2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 3.8705 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 3.7640 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 3.3059 -3.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 1.9782 -3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0017 1.4202 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 3.8780 -5.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4213 3.8414 -5.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 2.5867 -6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 -3.9480 -2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 -3.6022 -3.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -3.0769 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 -1.5275 -3.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 -1.4978 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 -2.7768 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -1.2061 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7419 -0.8269 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 0.8059 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 1.0985 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 0.8898 -2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7286 1.3514 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1169 3.0277 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 2.6814 -2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 3.4166 -3.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4366 3.8356 -1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 5.8688 -2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 5.2449 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2146 4.3896 -3.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 5.0315 -4.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.7162 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 7.2860 -3.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0327 6.7289 -5.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 5.9104 -4.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 8.8227 -4.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2447 8.2434 -3.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 8.1050 -6.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 8.2950 -6.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 9.2409 -4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 8.1726 -3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 6.2026 -4.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 7.2391 -5.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8951 7.8179 -3.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9091 6.0427 -3.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0915 7.5877 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 5.7830 -2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3901 5.6258 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5604 7.3781 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 7.1384 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 5.3922 0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0116 5.9814 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 7.0914 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 4.2311 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3506 5.3285 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9798 4.3849 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 0 25112 1 0 26113 1 0 27114 1 0 27115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 51148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 72181 1 0 72182 1 0 73183 1 0 73184 1 0 74185 1 0 74186 1 0 75187 1 0 75188 1 0 76189 1 0 76190 1 0 77191 1 0 77192 1 0 77193 1 0 M END